smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC(C#N)=CNc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000067182357 264020677 /nfs/dbraw/zinc/02/06/77/264020677.db2.gz MITGAISNXFEJCA-UHFFFAOYSA-N 0 3 307.401 2.562 20 50 DFGDHN C[C@@H]1CCCN(CCNC(=O)/C(C#N)=C\c2ccc(F)cc2)C1 ZINC000182201614 267014805 /nfs/dbraw/zinc/01/48/05/267014805.db2.gz SXAUIFYPOBNGFZ-VQCBNXJZSA-N 0 3 315.392 2.581 20 50 DFGDHN C[C@@H]1C[C@H](N(C)C(=O)/C(C#N)=C\c2ccc(F)cc2)CCN1C ZINC000183323566 267089946 /nfs/dbraw/zinc/08/99/46/267089946.db2.gz WHFSQBQNVQXTGT-CWVUYVHYSA-N 0 3 315.392 2.674 20 50 DFGDHN C[C@H]1CCCN(CCNC(=O)/C(C#N)=C\c2ccc(F)cc2)C1 ZINC000182201631 267213596 /nfs/dbraw/zinc/21/35/96/267213596.db2.gz SXAUIFYPOBNGFZ-HNDQUVLASA-N 0 3 315.392 2.581 20 50 DFGDHN CCCC[N@H+](C)C[C@@H](C)NC(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000292582860 266028185 /nfs/dbraw/zinc/02/81/85/266028185.db2.gz GRTWHDNQBDOEPN-VQCBNXJZSA-N 0 3 315.417 2.536 20 50 DFGDHN CCCC[N@@H+](C)C[C@@H](C)NC(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000292582860 266028188 /nfs/dbraw/zinc/02/81/88/266028188.db2.gz GRTWHDNQBDOEPN-VQCBNXJZSA-N 0 3 315.417 2.536 20 50 DFGDHN C[C@H]1CN(C2CCN(/C(=C/C#N)c3ccccc3)CC2)CCO1 ZINC000078688718 398980609 /nfs/dbraw/zinc/98/06/09/398980609.db2.gz VFBQCXJPOQXKEM-QHBNVQQXSA-N 0 3 311.429 2.736 20 50 DFGDHN CCCn1c(C)cc(C=C(C#N)C(=O)NNc2ccncc2)c1C ZINC000180478955 266087099 /nfs/dbraw/zinc/08/70/99/266087099.db2.gz PHTZWHRPPGMMIT-LFIBNONCSA-N 0 3 323.400 2.960 20 50 DFGDHN CCN1CCC[C@H]1CN(C)/C(=C/C#N)c1cccc([N+](=O)[O-])c1 ZINC000267417014 266144644 /nfs/dbraw/zinc/14/46/44/266144644.db2.gz VKWIEEGNHXILNO-UWNXQOIWSA-N 0 3 314.389 2.875 20 50 DFGDHN C[C@@H]1CN(C2CCOCC2)CCN1/C(=C/C#N)c1ccccc1 ZINC000278640985 267044794 /nfs/dbraw/zinc/04/47/94/267044794.db2.gz LNMJZHWPZZETFY-HZSTWWNRSA-N 0 3 311.429 2.736 20 50 DFGDHN CCCN(CCN(C)C)C(=O)/C(C#N)=C/c1ccc(F)cc1 ZINC000490841759 270002494 /nfs/dbraw/zinc/00/24/94/270002494.db2.gz JPSCEQSDDMKOMS-NTCAYCPXSA-N 0 3 303.381 2.533 20 50 DFGDHN CC(C)C[C@H](CN(C)C)NC(=O)/C(C#N)=C/c1ccc(F)cc1 ZINC000291529237 265821679 /nfs/dbraw/zinc/82/16/79/265821679.db2.gz NDRIWPLLPUQEPH-IUYQLWOBSA-N 0 3 317.408 2.825 20 50 DFGDHN CCCN1CCC[C@H]1CNC(=O)/C(C#N)=C/c1ccc(F)cc1 ZINC000490940189 267018664 /nfs/dbraw/zinc/01/86/64/267018664.db2.gz IEWGQOHOVZPGFL-JMPLCFMRSA-N 0 3 315.392 2.723 20 50 DFGDHN C[C@@H]1CN(/C(=C/C#N)c2ccccc2)CCN1C1CCN(C)CC1 ZINC000371695921 267033889 /nfs/dbraw/zinc/03/38/89/267033889.db2.gz ZJOYRFVQWKYOHV-UZHQLRPZSA-N 0 3 324.472 2.651 20 50 DFGDHN N#CC1=CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000370338913 267929146 /nfs/dbraw/zinc/92/91/46/267929146.db2.gz FCWJTUPYOBFJEG-UHFFFAOYSA-N 0 3 309.413 2.581 20 50 DFGDHN CCCC[N@H+](C)C[C@H](C)NC(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000292582855 266029429 /nfs/dbraw/zinc/02/94/29/266029429.db2.gz GRTWHDNQBDOEPN-HNDQUVLASA-N 0 3 315.417 2.536 20 50 DFGDHN CCCC[N@@H+](C)C[C@H](C)NC(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000292582855 266029430 /nfs/dbraw/zinc/02/94/30/266029430.db2.gz GRTWHDNQBDOEPN-HNDQUVLASA-N 0 3 315.417 2.536 20 50 DFGDHN N#Cc1ccc(NNC(=O)[C@@H](C2CC2)N2CCCC2)cc1Cl ZINC000128860344 268158447 /nfs/dbraw/zinc/15/84/47/268158447.db2.gz IIHGTMOOKRWECT-OAHLLOKOSA-N 0 3 318.808 2.529 20 50 DFGDHN CCCN(CCN(C)C)C(=O)/C(C#N)=C\c1ccc(F)cc1 ZINC000490841760 270002461 /nfs/dbraw/zinc/00/24/61/270002461.db2.gz JPSCEQSDDMKOMS-QINSGFPZSA-N 0 3 303.381 2.533 20 50 DFGDHN CCO/C=C(\C#N)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000178964502 266208428 /nfs/dbraw/zinc/20/84/28/266208428.db2.gz NWYWLMDXDOOJAB-AOHITCTBSA-N 0 3 315.417 2.676 20 50 DFGDHN CCN1CCC[C@H]1CN(C)C(=O)/C(C#N)=C\c1ccc(F)cc1 ZINC000183429742 266145956 /nfs/dbraw/zinc/14/59/56/266145956.db2.gz CIUOPMRMXHBUDB-HKBKRHGFSA-N 0 3 315.392 2.675 20 50 DFGDHN C[C@@H]1CN(/C(=C/C#N)c2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000370150543 267035853 /nfs/dbraw/zinc/03/58/53/267035853.db2.gz RSRDRRGAAFWLAH-HUOPFOBCSA-N 0 3 324.472 2.509 20 50 DFGDHN CN(CC1CCN(C)CC1)C(=O)/C(C#N)=C/c1ccc(F)cc1 ZINC000490842833 267303678 /nfs/dbraw/zinc/30/36/78/267303678.db2.gz MMJRELVLHMKBLQ-LFIBNONCSA-N 0 3 315.392 2.533 20 50 DFGDHN CCN1CCC[C@@H]1CN(C)C(=O)/C(C#N)=C\c1ccc(F)cc1 ZINC000183429721 266145287 /nfs/dbraw/zinc/14/52/87/266145287.db2.gz CIUOPMRMXHBUDB-JBXOJTMHSA-N 0 3 315.392 2.675 20 50 DFGDHN CN(C)Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O)cc1 ZINC000491162968 267284206 /nfs/dbraw/zinc/28/42/06/267284206.db2.gz UWLBPOQJFLQNSQ-WJDWOHSUSA-N 0 3 321.380 2.999 20 50 DFGDHN CC1CCN(CCNC(=O)/C(C#N)=C\c2ccc(F)cc2)CC1 ZINC000182198935 265988902 /nfs/dbraw/zinc/98/89/02/265988902.db2.gz ALIGGEDKRXQQRA-VBKFSLOCSA-N 0 3 315.392 2.581 20 50 DFGDHN CN(C)Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(O)cc1 ZINC000491162967 267284422 /nfs/dbraw/zinc/28/44/22/267284422.db2.gz UWLBPOQJFLQNSQ-LFIBNONCSA-N 0 3 321.380 2.999 20 50 DFGDHN C[C@H]1CCCCN1CCNC(=O)/C(C#N)=C\c1ccc(F)cc1 ZINC000182201085 267211993 /nfs/dbraw/zinc/21/19/93/267211993.db2.gz GQDNFHMPWQTBGS-QXPQOBGOSA-N 0 3 315.392 2.723 20 50 DFGDHN CCO/C=C(\C#N)C(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000491131415 269660036 /nfs/dbraw/zinc/66/00/36/269660036.db2.gz KWFRKDSVXSQZBB-FOCLMDBBSA-N 0 3 319.449 2.687 20 50 DFGDHN C[C@@H]1CN(C2CCN(/C(=C/C#N)c3ccccc3)CC2)CCO1 ZINC000078688714 398980788 /nfs/dbraw/zinc/98/07/88/398980788.db2.gz VFBQCXJPOQXKEM-HZSTWWNRSA-N 0 3 311.429 2.736 20 50 DFGDHN CCO/C=C(/C#N)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000158951444 266179546 /nfs/dbraw/zinc/17/95/46/266179546.db2.gz UNSXCMWJXRIOAW-QKXCFHHRSA-N 0 3 321.446 2.691 20 50 DFGDHN CCO/C=C(/C#N)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000158951292 266179643 /nfs/dbraw/zinc/17/96/43/266179643.db2.gz UNSXCMWJXRIOAW-SZGZABIGSA-N 0 3 321.446 2.691 20 50 DFGDHN CC[NH+](CC)CCCCNC(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000491047157 267057755 /nfs/dbraw/zinc/05/77/55/267057755.db2.gz IGWFGXMBHBFESK-DTQAZKPQSA-N 0 3 315.417 2.537 20 50 DFGDHN C[C@@H]1C[C@@H](N(C)C(=O)/C(C#N)=C\c2ccc(F)cc2)CCN1C ZINC000183323601 267077012 /nfs/dbraw/zinc/07/70/12/267077012.db2.gz WHFSQBQNVQXTGT-URBNMHANSA-N 0 3 315.392 2.674 20 50 DFGDHN N#Cc1ccc(NNC(=O)c2ccc(CN3CCCC3)cc2)cc1 ZINC000269578904 268162054 /nfs/dbraw/zinc/16/20/54/268162054.db2.gz IDCWHDZQJSDTTE-UHFFFAOYSA-N 0 3 320.396 2.911 20 50 DFGDHN CCN1CCC[C@@H]1CN(C)/C(=C/C#N)c1cccc([N+](=O)[O-])c1 ZINC000267417012 266144944 /nfs/dbraw/zinc/14/49/44/266144944.db2.gz VKWIEEGNHXILNO-BRMCRPDNSA-N 0 3 314.389 2.875 20 50 DFGDHN CN1CCN([C@@H]2CCCCN(/C(=C/C#N)c3ccccc3)C2)CC1 ZINC000182890556 266592662 /nfs/dbraw/zinc/59/26/62/266592662.db2.gz NENFOPPMKIQZIJ-DKLCPLSMSA-N 0 3 324.472 2.653 20 50 DFGDHN CCO/C=C(\C#N)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000490944104 267106592 /nfs/dbraw/zinc/10/65/92/267106592.db2.gz VKBXLERTEPGEFS-FQNOHDAGSA-N 0 3 321.808 2.503 20 50 DFGDHN CC[NH+](CC)CCCCNC(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000194603549 266112881 /nfs/dbraw/zinc/11/28/81/266112881.db2.gz IGWFGXMBHBFESK-SSZFMOIBSA-N 0 3 315.417 2.537 20 50 DFGDHN CCO/C=C(\C#N)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000178964510 266209238 /nfs/dbraw/zinc/20/92/38/266209238.db2.gz NWYWLMDXDOOJAB-RGHBXIHOSA-N 0 3 315.417 2.676 20 50 DFGDHN CCOc1ccc(C=C(C#N)C(=O)NNc2ccncc2)cc1 ZINC000183012099 266319491 /nfs/dbraw/zinc/31/94/91/266319491.db2.gz BDIKCMFFAUIECN-SDNWHVSQSA-N 0 3 308.341 2.531 20 50 DFGDHN CCO/C=C(/C#N)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000158885321 266186152 /nfs/dbraw/zinc/18/61/52/266186152.db2.gz HRTXXFJUDXLTFA-SQFISAMPSA-N 0 3 301.390 2.911 20 50 DFGDHN C[C@@H]1CCCCN1CCNC(=O)/C(C#N)=C\c1ccc(F)cc1 ZINC000182201068 267010022 /nfs/dbraw/zinc/01/00/22/267010022.db2.gz GQDNFHMPWQTBGS-IZCBMXNHSA-N 0 3 315.392 2.723 20 50 DFGDHN CCCN1CCC[C@H]1CNC(=O)/C(C#N)=C\c1ccc(F)cc1 ZINC000490940188 267019807 /nfs/dbraw/zinc/01/98/07/267019807.db2.gz IEWGQOHOVZPGFL-HKBKRHGFSA-N 0 3 315.392 2.723 20 50 DFGDHN CCO/C=C(\C#N)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000490696021 267107875 /nfs/dbraw/zinc/10/78/75/267107875.db2.gz NQTCXGJRHCBBAK-PBYBUVHISA-N 0 3 315.417 2.546 20 50 DFGDHN N#Cc1ccc(NNC(=O)[C@H](C2CC2)N2CCCC2)cc1Cl ZINC000128860560 268160798 /nfs/dbraw/zinc/16/07/98/268160798.db2.gz IIHGTMOOKRWECT-HNNXBMFYSA-N 0 3 318.808 2.529 20 50 DFGDHN CCO/C=C(\C#N)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000374204503 266212623 /nfs/dbraw/zinc/21/26/23/266212623.db2.gz JYIJMFRMSFBZEP-FOCLMDBBSA-N 0 3 319.449 2.593 20 50 DFGDHN CCO/C=C(\C#N)C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000178952797 266214321 /nfs/dbraw/zinc/21/43/21/266214321.db2.gz WBWFLQXZBNLEES-ZQHZRZASSA-N 0 3 315.417 2.630 20 50 DFGDHN CCO/C=C(\C#N)C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000178952808 266215939 /nfs/dbraw/zinc/21/59/39/266215939.db2.gz WBWFLQXZBNLEES-FYPAKXHLSA-N 0 3 315.417 2.630 20 50 DFGDHN CCO/C=C(/C#N)C(=O)N(CCN1CCCCCC1)C(C)C ZINC000491162909 267073752 /nfs/dbraw/zinc/07/37/52/267073752.db2.gz UMORBEBMKSATTM-PEZBUJJGSA-N 0 3 307.438 2.543 20 50 DFGDHN CCO/C=C(/C#N)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000490696014 267097237 /nfs/dbraw/zinc/09/72/37/267097237.db2.gz NQTCXGJRHCBBAK-JKVPJNLHSA-N 0 3 315.417 2.546 20 50 DFGDHN CCO/C=C(\C#N)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000490944106 267108713 /nfs/dbraw/zinc/10/87/13/267108713.db2.gz VKBXLERTEPGEFS-HFBDAHEESA-N 0 3 321.808 2.503 20 50 DFGDHN N#Cc1ccc(NNC(=O)C2CCN(C3CC3)CC2)cc1Cl ZINC000194856592 268157875 /nfs/dbraw/zinc/15/78/75/268157875.db2.gz NXENJVYWGGOEKJ-UHFFFAOYSA-N 0 3 318.808 2.529 20 50 DFGDHN CCO/C=C(/C#N)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000283045059 266182434 /nfs/dbraw/zinc/18/24/34/266182434.db2.gz VKBXLERTEPGEFS-HVCHUGMYSA-N 0 3 321.808 2.503 20 50 DFGDHN CC[C@@H](C)N1CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000295912811 266356595 /nfs/dbraw/zinc/35/65/95/266356595.db2.gz DWQZGEFDNQJEAK-BYNSURFDSA-N 0 3 314.389 2.875 20 50 DFGDHN CCO/C=C(/C#N)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000283045056 266183356 /nfs/dbraw/zinc/18/33/56/266183356.db2.gz VKBXLERTEPGEFS-BMOGTNHUSA-N 0 3 321.808 2.503 20 50 DFGDHN CCCCN(C)CCNC(=O)/C(C#N)=C\c1ccc(F)cc1 ZINC000490838701 267003858 /nfs/dbraw/zinc/00/38/58/267003858.db2.gz BNOVGDRPLNIZPM-QINSGFPZSA-N 0 3 303.381 2.581 20 50 DFGDHN C[C@@H]1CN(/C(=C/C#N)c2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000370150544 267035478 /nfs/dbraw/zinc/03/54/78/267035478.db2.gz RSRDRRGAAFWLAH-JOFNIKFXSA-N 0 3 324.472 2.509 20 50 DFGDHN CCO/C=C(/C#N)C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000158780145 266179470 /nfs/dbraw/zinc/17/94/70/266179470.db2.gz WBWFLQXZBNLEES-WAIALKQBSA-N 0 3 315.417 2.630 20 50 DFGDHN CCO/C=C(/C#N)C(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000491131419 267074236 /nfs/dbraw/zinc/07/42/36/267074236.db2.gz KWFRKDSVXSQZBB-NXVVXOECSA-N 0 3 319.449 2.687 20 50 DFGDHN C[C@H](CN1CCCCC1)NC(=O)/C(C#N)=C\c1ccc(F)cc1 ZINC000182164547 267155928 /nfs/dbraw/zinc/15/59/28/267155928.db2.gz BMTFDIICUROSAD-VQCBNXJZSA-N 0 3 315.392 2.723 20 50 DFGDHN CCO/C=C(\C#N)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000178954855 266234886 /nfs/dbraw/zinc/23/48/86/266234886.db2.gz HRTXXFJUDXLTFA-FYWRMAATSA-N 0 3 301.390 2.911 20 50 DFGDHN CCCC[N@H+](C)C[C@@H](C)NC(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000490970324 267005657 /nfs/dbraw/zinc/00/56/57/267005657.db2.gz GRTWHDNQBDOEPN-DSQDWWTGSA-N 0 3 315.417 2.536 20 50 DFGDHN CCCC[N@@H+](C)C[C@@H](C)NC(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000490970324 267005658 /nfs/dbraw/zinc/00/56/58/267005658.db2.gz GRTWHDNQBDOEPN-DSQDWWTGSA-N 0 3 315.417 2.536 20 50 DFGDHN CC[C@@H](C(=O)NNc1ccc(C#N)c(Cl)c1)N(CC)CC ZINC000273482802 266352285 /nfs/dbraw/zinc/35/22/85/266352285.db2.gz LLWISKMMIRLLSF-AWEZNQCLSA-N 0 3 308.813 2.775 20 50 DFGDHN CCCCN(C)CCNC(=O)/C(C#N)=C/c1ccc(F)cc1 ZINC000490838691 267004510 /nfs/dbraw/zinc/00/45/10/267004510.db2.gz BNOVGDRPLNIZPM-NTCAYCPXSA-N 0 3 303.381 2.581 20 50 DFGDHN CCCC[N@H+](C)C[C@H](C)NC(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000491174207 267005769 /nfs/dbraw/zinc/00/57/69/267005769.db2.gz GRTWHDNQBDOEPN-LUYJPIOASA-N 0 3 315.417 2.536 20 50 DFGDHN CCCC[N@@H+](C)C[C@H](C)NC(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000491174207 267005772 /nfs/dbraw/zinc/00/57/72/267005772.db2.gz GRTWHDNQBDOEPN-LUYJPIOASA-N 0 3 315.417 2.536 20 50 DFGDHN CCO/C=C(\C#N)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000490696019 267107704 /nfs/dbraw/zinc/10/77/04/267107704.db2.gz NQTCXGJRHCBBAK-NCZAWXAYSA-N 0 3 315.417 2.546 20 50 DFGDHN CN(C[C@H]1CCCN(C)C1)C(=O)/C(C#N)=C/c1ccc(F)cc1 ZINC000490881045 267308951 /nfs/dbraw/zinc/30/89/51/267308951.db2.gz WSQHSSWOTOTQSX-BMANGOCTSA-N 0 3 315.392 2.533 20 50 DFGDHN CC[C@@H](C)N1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296077941 266355966 /nfs/dbraw/zinc/35/59/66/266355966.db2.gz OZTUOWIWWUOQPZ-CNGOAVBNSA-N 0 3 314.389 2.875 20 50 DFGDHN CCO/C=C(/C#N)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000490696020 267097205 /nfs/dbraw/zinc/09/72/05/267097205.db2.gz NQTCXGJRHCBBAK-OVFJZZPKSA-N 0 3 315.417 2.546 20 50 DFGDHN Cc1cc(NC=C(C#N)C#N)cc(N2CCN(C(C)C)CC2)c1 ZINC000190208338 267347697 /nfs/dbraw/zinc/34/76/97/267347697.db2.gz FFGHNDBGJCXVJM-UHFFFAOYSA-N 0 3 309.417 2.868 20 50 DFGDHN CCO/C=C(/C#N)C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000158780295 266179442 /nfs/dbraw/zinc/17/94/42/266179442.db2.gz WBWFLQXZBNLEES-YHKKIHSWSA-N 0 3 315.417 2.630 20 50 DFGDHN CCO/C=C(\C#N)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000178956070 266213184 /nfs/dbraw/zinc/21/31/84/266213184.db2.gz UNSXCMWJXRIOAW-GOFCXVBSSA-N 0 3 321.446 2.691 20 50 DFGDHN C[C@@H]1C[C@H](N(C)C(=O)/C(C#N)=C/c2ccc(F)cc2)CCN1C ZINC000490846895 267785507 /nfs/dbraw/zinc/78/55/07/267785507.db2.gz WHFSQBQNVQXTGT-FINCRHPDSA-N 0 3 315.392 2.674 20 50 DFGDHN C[C@H](CN1CCCCC1)NC(=O)/C(C#N)=C/c1ccc(F)cc1 ZINC000490872393 269870884 /nfs/dbraw/zinc/87/08/84/269870884.db2.gz BMTFDIICUROSAD-DSQDWWTGSA-N 0 3 315.392 2.723 20 50 DFGDHN CCO/C=C(\C#N)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000178956078 266214867 /nfs/dbraw/zinc/21/48/67/266214867.db2.gz UNSXCMWJXRIOAW-ATGUSINASA-N 0 3 321.446 2.691 20 50 DFGDHN